N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide

C14H23N3O2 — CID 109183892

IUPACN-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc(NCCC(C)C)cn1
InChIInChI=1S/C14H23N3O2/c1-11(2)6-7-15-12-4-5-13(17-10-12)14(18)16-8-9-19-3/h4-5,10-11,15H,6-9H2,1-3H3,(H,16,18)
InChIKeyBLMLIOFDWGEPRE-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.92
Rot. Bonds8

About N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide

N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide (PubChem CID 109183892) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
PubChem CID109183892
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc(NCCC(C)C)cn1
InChIInChI=1S/C14H23N3O2/c1-11(2)6-7-15-12-4-5-13(17-10-12)14(18)16-8-9-19-3/h4-5,10-11,15H,6-9H2,1-3H3,(H,16,18)
InChIKeyBLMLIOFDWGEPRE-UHFFFAOYSA-N
XLogP1.92
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109180889
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
N-(2-methoxyethyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109183921
N-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide
CID 104765582
5-[(4-methoxyphenyl)methylamino]-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109190476
N-(4-methoxybutan-2-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104641554
N-(2,6-difluorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195715
N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195662
N-(2-methoxyethyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109183906
5-(ethylamino)-N-(5-methylhexyl)pyridine-2-carboxamide
CID 104641912
N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195700
N-(4-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195667

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide (CID 109183892) is N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide is COCCNC(=O)c1ccc(NCCC(C)C)cn1.
What is the InChIKey of N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
The InChIKey is BLMLIOFDWGEPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)6-7-15-12-4-5-13(17-10-12)14(18)16-8-9-19-3/h4-5,10-11,15H,6-9H2,1-3H3,(H,16,18).
What are the key properties of N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109183892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).